3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one

C7H10N2O2 — CID 84763473

IUPAC3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one
SMILESCc1cnoc1C(=O)CCN
InChIInChI=1S/C7H10N2O2/c1-5-4-9-11-7(5)6(10)2-3-8/h4H,2-3,8H2,1H3
InChIKeyKFZXSMIEJQMBEW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one

3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one (PubChem CID 84763473) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one
PubChem CID84763473
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one
SMILESCc1cnoc1C(=O)CCN
InChIInChI=1S/C7H10N2O2/c1-5-4-9-11-7(5)6(10)2-3-8/h4H,2-3,8H2,1H3
InChIKeyKFZXSMIEJQMBEW-UHFFFAOYSA-N
XLogP0.51
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one (CID 84763473) is 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one is Cc1cnoc1C(=O)CCN.
What is the InChIKey of 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is KFZXSMIEJQMBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-4-9-11-7(5)6(10)2-3-8/h4H,2-3,8H2,1H3.
What are the key properties of 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one?
3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 154.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methyl-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 84763473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).